USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 CYS SG : rot -39:sc= 0.328 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= -0.299 USER MOD Set 2.3: A 17 MET CE :methyl -119:sc= -0.671 (180deg=-0.967) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 44:sc= 0.0234 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00448 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.921 USER MOD Single : A 27 SER OG : rot -47:sc= 0.377 USER MOD Single : A 28 GLN : amide:sc= -0.027 X(o=-0.027,f=-0.18) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -42:sc= 0.209 USER MOD Single : A 53 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.66) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.08) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.491 K(o=-0.49,f=-2.1!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -159:sc= -0.0817 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.801 17.460 12.007 1.00 0.00 N ATOM 2 CA GLY A 1 -14.518 17.438 11.327 1.00 0.00 C ATOM 3 C GLY A 1 -14.496 16.464 10.165 1.00 0.00 C ATOM 4 O GLY A 1 -14.929 15.319 10.297 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.766 18.140 12.793 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.544 17.743 11.337 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.013 16.512 12.379 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.286 18.439 10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.737 17.168 12.038 1.00 0.00 H new ATOM 8 N SER A 2 -13.989 16.918 9.023 1.00 0.00 N ATOM 9 CA SER A 2 -13.917 16.081 7.832 1.00 0.00 C ATOM 10 C SER A 2 -12.533 15.453 7.693 1.00 0.00 C ATOM 11 O SER A 2 -11.515 16.125 7.858 1.00 0.00 O ATOM 12 CB SER A 2 -14.244 16.903 6.584 1.00 0.00 C ATOM 13 OG SER A 2 -14.425 16.066 5.455 1.00 0.00 O ATOM 0 H SER A 2 -13.622 17.861 8.898 1.00 0.00 H new ATOM 0 HA SER A 2 -14.651 15.282 7.934 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.148 17.487 6.756 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.439 17.611 6.390 1.00 0.00 H new ATOM 0 HG SER A 2 -14.635 16.615 4.671 1.00 0.00 H new ATOM 19 N SER A 3 -12.505 14.158 7.389 1.00 0.00 N ATOM 20 CA SER A 3 -11.248 13.438 7.232 1.00 0.00 C ATOM 21 C SER A 3 -11.394 12.304 6.222 1.00 0.00 C ATOM 22 O SER A 3 -12.405 11.602 6.203 1.00 0.00 O ATOM 23 CB SER A 3 -10.783 12.879 8.579 1.00 0.00 C ATOM 24 OG SER A 3 -9.567 12.164 8.442 1.00 0.00 O ATOM 0 H SER A 3 -13.339 13.588 7.247 1.00 0.00 H new ATOM 0 HA SER A 3 -10.501 14.139 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.650 13.695 9.289 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.551 12.222 8.988 1.00 0.00 H new ATOM 0 HG SER A 3 -9.290 11.819 9.316 1.00 0.00 H new ATOM 30 N GLY A 4 -10.377 12.131 5.384 1.00 0.00 N ATOM 31 CA GLY A 4 -10.412 11.082 4.381 1.00 0.00 C ATOM 32 C GLY A 4 -9.298 11.217 3.363 1.00 0.00 C ATOM 33 O GLY A 4 -8.850 12.324 3.063 1.00 0.00 O ATOM 0 H GLY A 4 -9.529 12.698 5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.336 10.112 4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.374 11.106 3.868 1.00 0.00 H new ATOM 37 N SER A 5 -8.846 10.087 2.829 1.00 0.00 N ATOM 38 CA SER A 5 -7.772 10.082 1.842 1.00 0.00 C ATOM 39 C SER A 5 -7.838 8.828 0.975 1.00 0.00 C ATOM 40 O SER A 5 -8.549 7.875 1.294 1.00 0.00 O ATOM 41 CB SER A 5 -6.413 10.165 2.536 1.00 0.00 C ATOM 42 OG SER A 5 -5.876 11.474 2.450 1.00 0.00 O ATOM 0 H SER A 5 -9.207 9.162 3.063 1.00 0.00 H new ATOM 0 HA SER A 5 -7.897 10.954 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.518 9.879 3.583 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.724 9.455 2.079 1.00 0.00 H new ATOM 0 HG SER A 5 -6.581 12.129 2.634 1.00 0.00 H new ATOM 48 N SER A 6 -7.090 8.837 -0.125 1.00 0.00 N ATOM 49 CA SER A 6 -7.064 7.704 -1.041 1.00 0.00 C ATOM 50 C SER A 6 -5.873 6.796 -0.749 1.00 0.00 C ATOM 51 O SER A 6 -5.199 6.323 -1.664 1.00 0.00 O ATOM 52 CB SER A 6 -7.004 8.192 -2.490 1.00 0.00 C ATOM 53 OG SER A 6 -5.986 9.162 -2.659 1.00 0.00 O ATOM 0 H SER A 6 -6.494 9.617 -0.402 1.00 0.00 H new ATOM 0 HA SER A 6 -7.980 7.131 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.820 7.348 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.967 8.617 -2.774 1.00 0.00 H new ATOM 0 HG SER A 6 -5.967 9.457 -3.593 1.00 0.00 H new ATOM 59 N GLY A 7 -5.619 6.557 0.534 1.00 0.00 N ATOM 60 CA GLY A 7 -4.509 5.708 0.925 1.00 0.00 C ATOM 61 C GLY A 7 -4.886 4.725 2.016 1.00 0.00 C ATOM 62 O GLY A 7 -5.562 5.085 2.979 1.00 0.00 O ATOM 0 H GLY A 7 -6.162 6.936 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.151 5.159 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.684 6.331 1.271 1.00 0.00 H new ATOM 66 N VAL A 8 -4.452 3.478 1.862 1.00 0.00 N ATOM 67 CA VAL A 8 -4.750 2.440 2.842 1.00 0.00 C ATOM 68 C VAL A 8 -3.504 1.627 3.176 1.00 0.00 C ATOM 69 O VAL A 8 -2.582 1.521 2.367 1.00 0.00 O ATOM 70 CB VAL A 8 -5.849 1.488 2.334 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.195 2.197 2.298 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.489 0.941 0.961 1.00 0.00 C ATOM 0 H VAL A 8 -3.894 3.162 1.069 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.104 2.945 3.741 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.925 0.649 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.959 1.509 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.456 2.534 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.136 3.057 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.277 0.270 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.383 1.766 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.548 0.394 1.023 1.00 0.00 H new ATOM 82 N PHE A 9 -3.484 1.052 4.374 1.00 0.00 N ATOM 83 CA PHE A 9 -2.350 0.248 4.817 1.00 0.00 C ATOM 84 C PHE A 9 -2.632 -1.240 4.628 1.00 0.00 C ATOM 85 O PHE A 9 -3.560 -1.788 5.223 1.00 0.00 O ATOM 86 CB PHE A 9 -2.036 0.536 6.286 1.00 0.00 C ATOM 87 CG PHE A 9 -1.346 1.853 6.504 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.179 2.159 5.823 1.00 0.00 C ATOM 89 CD2 PHE A 9 -1.865 2.784 7.389 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.459 3.369 6.022 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.232 3.995 7.592 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.069 4.289 6.907 1.00 0.00 C ATOM 0 H PHE A 9 -4.239 1.128 5.055 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.486 0.517 4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.964 0.522 6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.408 -0.264 6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.237 1.444 5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.775 2.560 7.926 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.369 3.595 5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.646 4.712 8.286 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.426 5.236 7.063 1.00 0.00 H new ATOM 102 N VAL A 10 -1.825 -1.888 3.795 1.00 0.00 N ATOM 103 CA VAL A 10 -1.986 -3.312 3.527 1.00 0.00 C ATOM 104 C VAL A 10 -1.099 -4.148 4.444 1.00 0.00 C ATOM 105 O VAL A 10 -0.022 -4.590 4.048 1.00 0.00 O ATOM 106 CB VAL A 10 -1.652 -3.649 2.061 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.825 -5.139 1.803 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.519 -2.832 1.116 1.00 0.00 C ATOM 0 H VAL A 10 -1.053 -1.449 3.294 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.032 -3.554 3.718 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.609 -3.391 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.585 -5.358 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.157 -5.701 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.857 -5.426 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.270 -3.083 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.570 -3.057 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.340 -1.770 1.285 1.00 0.00 H new ATOM 118 N GLY A 11 -1.561 -4.361 5.672 1.00 0.00 N ATOM 119 CA GLY A 11 -0.797 -5.142 6.626 1.00 0.00 C ATOM 120 C GLY A 11 -0.699 -6.603 6.233 1.00 0.00 C ATOM 121 O GLY A 11 -1.030 -6.973 5.106 1.00 0.00 O ATOM 0 H GLY A 11 -2.451 -4.007 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.206 -4.724 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.261 -5.064 7.609 1.00 0.00 H new ATOM 125 N ARG A 12 -0.240 -7.435 7.162 1.00 0.00 N ATOM 126 CA ARG A 12 -0.097 -8.863 6.904 1.00 0.00 C ATOM 127 C ARG A 12 0.581 -9.107 5.559 1.00 0.00 C ATOM 128 O ARG A 12 0.160 -9.972 4.789 1.00 0.00 O ATOM 129 CB ARG A 12 -1.464 -9.549 6.931 1.00 0.00 C ATOM 130 CG ARG A 12 -2.021 -9.744 8.331 1.00 0.00 C ATOM 131 CD ARG A 12 -2.483 -11.176 8.552 1.00 0.00 C ATOM 132 NE ARG A 12 -3.719 -11.238 9.327 1.00 0.00 N ATOM 133 CZ ARG A 12 -4.550 -12.274 9.303 1.00 0.00 C ATOM 134 NH1 ARG A 12 -4.278 -13.331 8.548 1.00 0.00 N ATOM 135 NH2 ARG A 12 -5.655 -12.257 10.036 1.00 0.00 N ATOM 0 H ARG A 12 0.039 -7.145 8.099 1.00 0.00 H new ATOM 0 HA ARG A 12 0.529 -9.287 7.689 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.169 -8.957 6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.383 -10.520 6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.258 -9.489 9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.857 -9.062 8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.635 -11.661 7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.702 -11.733 9.070 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.957 -10.442 9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.429 -13.350 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.918 -14.125 8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.868 -11.448 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.292 -13.053 10.017 1.00 0.00 H new ATOM 149 N CYS A 13 1.630 -8.340 5.283 1.00 0.00 N ATOM 150 CA CYS A 13 2.365 -8.472 4.030 1.00 0.00 C ATOM 151 C CYS A 13 3.780 -8.982 4.282 1.00 0.00 C ATOM 152 O CYS A 13 4.166 -9.241 5.421 1.00 0.00 O ATOM 153 CB CYS A 13 2.415 -7.130 3.300 1.00 0.00 C ATOM 154 SG CYS A 13 2.110 -7.244 1.521 1.00 0.00 S ATOM 0 H CYS A 13 1.991 -7.621 5.910 1.00 0.00 H new ATOM 0 HA CYS A 13 1.843 -9.197 3.405 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.677 -6.461 3.742 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.393 -6.677 3.462 1.00 0.00 H new ATOM 0 HG CYS A 13 2.688 -8.308 1.049 1.00 0.00 H new ATOM 160 N THR A 14 4.552 -9.124 3.208 1.00 0.00 N ATOM 161 CA THR A 14 5.924 -9.605 3.310 1.00 0.00 C ATOM 162 C THR A 14 6.880 -8.709 2.532 1.00 0.00 C ATOM 163 O THR A 14 6.518 -8.146 1.500 1.00 0.00 O ATOM 164 CB THR A 14 6.054 -11.049 2.791 1.00 0.00 C ATOM 165 OG1 THR A 14 5.801 -11.088 1.382 1.00 0.00 O ATOM 166 CG2 THR A 14 5.082 -11.972 3.511 1.00 0.00 C ATOM 0 H THR A 14 4.249 -8.912 2.257 1.00 0.00 H new ATOM 0 HA THR A 14 6.189 -9.582 4.367 1.00 0.00 H new ATOM 0 HB THR A 14 7.070 -11.392 2.987 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.887 -12.009 1.060 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.192 -12.986 3.128 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.295 -11.963 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.061 -11.629 3.342 1.00 0.00 H new ATOM 174 N GLY A 15 8.105 -8.582 3.033 1.00 0.00 N ATOM 175 CA GLY A 15 9.095 -7.754 2.371 1.00 0.00 C ATOM 176 C GLY A 15 9.328 -8.167 0.931 1.00 0.00 C ATOM 177 O GLY A 15 9.465 -7.319 0.049 1.00 0.00 O ATOM 0 H GLY A 15 8.429 -9.038 3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.771 -6.714 2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.036 -7.810 2.919 1.00 0.00 H new ATOM 181 N ASP A 16 9.376 -9.473 0.693 1.00 0.00 N ATOM 182 CA ASP A 16 9.594 -9.999 -0.650 1.00 0.00 C ATOM 183 C ASP A 16 8.797 -9.205 -1.681 1.00 0.00 C ATOM 184 O ASP A 16 9.360 -8.661 -2.630 1.00 0.00 O ATOM 185 CB ASP A 16 9.204 -11.476 -0.713 1.00 0.00 C ATOM 186 CG ASP A 16 10.366 -12.365 -1.113 1.00 0.00 C ATOM 187 OD1 ASP A 16 11.084 -12.007 -2.070 1.00 0.00 O ATOM 188 OD2 ASP A 16 10.555 -13.419 -0.471 1.00 0.00 O ATOM 0 H ASP A 16 9.267 -10.187 1.413 1.00 0.00 H new ATOM 0 HA ASP A 16 10.654 -9.902 -0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.827 -11.791 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.390 -11.604 -1.427 1.00 0.00 H new ATOM 193 N MET A 17 7.484 -9.142 -1.485 1.00 0.00 N ATOM 194 CA MET A 17 6.609 -8.415 -2.398 1.00 0.00 C ATOM 195 C MET A 17 7.269 -7.121 -2.866 1.00 0.00 C ATOM 196 O MET A 17 8.099 -6.544 -2.163 1.00 0.00 O ATOM 197 CB MET A 17 5.274 -8.104 -1.720 1.00 0.00 C ATOM 198 CG MET A 17 4.600 -9.326 -1.117 1.00 0.00 C ATOM 199 SD MET A 17 2.801 -9.245 -1.210 1.00 0.00 S ATOM 200 CE MET A 17 2.348 -10.735 -0.326 1.00 0.00 C ATOM 0 H MET A 17 7.003 -9.585 -0.703 1.00 0.00 H new ATOM 0 HA MET A 17 6.427 -9.046 -3.268 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.438 -7.365 -0.936 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.602 -7.651 -2.449 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.947 -10.220 -1.635 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.902 -9.425 -0.074 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.793 -11.398 -0.990 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.249 -11.240 0.021 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.725 -10.475 0.530 1.00 0.00 H new ATOM 210 N THR A 18 6.894 -6.670 -4.059 1.00 0.00 N ATOM 211 CA THR A 18 7.449 -5.446 -4.622 1.00 0.00 C ATOM 212 C THR A 18 6.344 -4.514 -5.108 1.00 0.00 C ATOM 213 O THR A 18 5.286 -4.966 -5.545 1.00 0.00 O ATOM 214 CB THR A 18 8.403 -5.748 -5.794 1.00 0.00 C ATOM 215 OG1 THR A 18 7.710 -6.477 -6.814 1.00 0.00 O ATOM 216 CG2 THR A 18 9.605 -6.549 -5.319 1.00 0.00 C ATOM 0 H THR A 18 6.208 -7.135 -4.654 1.00 0.00 H new ATOM 0 HA THR A 18 8.009 -4.957 -3.825 1.00 0.00 H new ATOM 0 HB THR A 18 8.755 -4.800 -6.201 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.322 -6.664 -7.556 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.265 -6.751 -6.163 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.146 -5.979 -4.563 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.267 -7.492 -4.889 1.00 0.00 H new ATOM 224 N GLU A 19 6.599 -3.211 -5.030 1.00 0.00 N ATOM 225 CA GLU A 19 5.625 -2.217 -5.462 1.00 0.00 C ATOM 226 C GLU A 19 4.941 -2.651 -6.756 1.00 0.00 C ATOM 227 O GLU A 19 3.745 -2.427 -6.944 1.00 0.00 O ATOM 228 CB GLU A 19 6.303 -0.859 -5.663 1.00 0.00 C ATOM 229 CG GLU A 19 7.054 -0.368 -4.438 1.00 0.00 C ATOM 230 CD GLU A 19 8.519 -0.764 -4.454 1.00 0.00 C ATOM 231 OE1 GLU A 19 9.064 -0.974 -5.558 1.00 0.00 O ATOM 232 OE2 GLU A 19 9.119 -0.862 -3.363 1.00 0.00 O ATOM 0 H GLU A 19 7.471 -2.821 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 19 4.868 -2.126 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.997 -0.929 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.548 -0.122 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.976 0.718 -4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.582 -0.771 -3.542 1.00 0.00 H new ATOM 239 N ASP A 20 5.708 -3.272 -7.645 1.00 0.00 N ATOM 240 CA ASP A 20 5.177 -3.740 -8.920 1.00 0.00 C ATOM 241 C ASP A 20 4.114 -4.813 -8.706 1.00 0.00 C ATOM 242 O ASP A 20 2.977 -4.671 -9.154 1.00 0.00 O ATOM 243 CB ASP A 20 6.305 -4.288 -9.795 1.00 0.00 C ATOM 244 CG ASP A 20 7.346 -3.237 -10.125 1.00 0.00 C ATOM 245 OD1 ASP A 20 7.002 -2.258 -10.820 1.00 0.00 O ATOM 246 OD2 ASP A 20 8.504 -3.392 -9.687 1.00 0.00 O ATOM 0 H ASP A 20 6.700 -3.463 -7.506 1.00 0.00 H new ATOM 0 HA ASP A 20 4.714 -2.893 -9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.785 -5.122 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.884 -4.681 -10.720 1.00 0.00 H new ATOM 251 N GLU A 21 4.495 -5.886 -8.019 1.00 0.00 N ATOM 252 CA GLU A 21 3.573 -6.984 -7.748 1.00 0.00 C ATOM 253 C GLU A 21 2.220 -6.456 -7.281 1.00 0.00 C ATOM 254 O GLU A 21 1.193 -6.698 -7.917 1.00 0.00 O ATOM 255 CB GLU A 21 4.159 -7.921 -6.691 1.00 0.00 C ATOM 256 CG GLU A 21 5.431 -8.623 -7.139 1.00 0.00 C ATOM 257 CD GLU A 21 5.170 -9.697 -8.176 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.418 -10.647 -7.872 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.719 -9.588 -9.293 1.00 0.00 O ATOM 0 H GLU A 21 5.433 -6.018 -7.641 1.00 0.00 H new ATOM 0 HA GLU A 21 3.427 -7.539 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.368 -7.350 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.413 -8.671 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.122 -7.887 -7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.919 -9.070 -6.273 1.00 0.00 H new ATOM 266 N LEU A 22 2.226 -5.734 -6.166 1.00 0.00 N ATOM 267 CA LEU A 22 0.999 -5.171 -5.611 1.00 0.00 C ATOM 268 C LEU A 22 0.351 -4.203 -6.596 1.00 0.00 C ATOM 269 O LEU A 22 -0.848 -4.285 -6.863 1.00 0.00 O ATOM 270 CB LEU A 22 1.294 -4.454 -4.292 1.00 0.00 C ATOM 271 CG LEU A 22 1.716 -5.346 -3.123 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.771 -4.650 -2.277 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.510 -5.720 -2.276 1.00 0.00 C ATOM 0 H LEU A 22 3.067 -5.524 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 22 0.304 -5.990 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.083 -3.722 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.404 -3.899 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 22 2.149 -6.262 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.060 -5.298 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.645 -4.434 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.365 -3.718 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.829 -6.355 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.048 -4.815 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.212 -6.259 -2.889 1.00 0.00 H new ATOM 285 N ARG A 23 1.151 -3.288 -7.132 1.00 0.00 N ATOM 286 CA ARG A 23 0.656 -2.305 -8.088 1.00 0.00 C ATOM 287 C ARG A 23 -0.120 -2.984 -9.212 1.00 0.00 C ATOM 288 O ARG A 23 -1.066 -2.415 -9.757 1.00 0.00 O ATOM 289 CB ARG A 23 1.817 -1.498 -8.671 1.00 0.00 C ATOM 290 CG ARG A 23 1.389 -0.481 -9.715 1.00 0.00 C ATOM 291 CD ARG A 23 2.426 0.619 -9.881 1.00 0.00 C ATOM 292 NE ARG A 23 2.639 0.964 -11.284 1.00 0.00 N ATOM 293 CZ ARG A 23 3.615 1.760 -11.705 1.00 0.00 C ATOM 294 NH1 ARG A 23 4.465 2.289 -10.836 1.00 0.00 N ATOM 295 NH2 ARG A 23 3.744 2.027 -12.999 1.00 0.00 N ATOM 0 H ARG A 23 2.146 -3.207 -6.920 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.017 -1.630 -7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.331 -0.980 -7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.537 -2.184 -9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.233 -0.982 -10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.434 -0.042 -9.426 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.104 1.506 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.369 0.297 -9.440 1.00 0.00 H new ATOM 0 HE ARG A 23 2.003 0.572 -11.979 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.370 2.085 -9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.214 2.900 -11.162 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.093 1.621 -13.671 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.494 2.639 -13.321 1.00 0.00 H new ATOM 309 N GLU A 24 0.285 -4.203 -9.553 1.00 0.00 N ATOM 310 CA GLU A 24 -0.373 -4.958 -10.613 1.00 0.00 C ATOM 311 C GLU A 24 -1.570 -5.732 -10.068 1.00 0.00 C ATOM 312 O GLU A 24 -2.492 -6.075 -10.808 1.00 0.00 O ATOM 313 CB GLU A 24 0.616 -5.922 -11.272 1.00 0.00 C ATOM 314 CG GLU A 24 -0.037 -6.897 -12.238 1.00 0.00 C ATOM 315 CD GLU A 24 -0.143 -8.298 -11.668 1.00 0.00 C ATOM 316 OE1 GLU A 24 0.730 -8.678 -10.860 1.00 0.00 O ATOM 317 OE2 GLU A 24 -1.099 -9.016 -12.030 1.00 0.00 O ATOM 0 H GLU A 24 1.065 -4.689 -9.111 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.731 -4.250 -11.360 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.371 -5.346 -11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.134 -6.485 -10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.033 -6.537 -12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.539 -6.927 -13.163 1.00 0.00 H new ATOM 324 N PHE A 25 -1.547 -6.006 -8.767 1.00 0.00 N ATOM 325 CA PHE A 25 -2.627 -6.741 -8.121 1.00 0.00 C ATOM 326 C PHE A 25 -3.780 -5.809 -7.759 1.00 0.00 C ATOM 327 O PHE A 25 -4.936 -6.227 -7.699 1.00 0.00 O ATOM 328 CB PHE A 25 -2.114 -7.448 -6.866 1.00 0.00 C ATOM 329 CG PHE A 25 -3.139 -8.328 -6.211 1.00 0.00 C ATOM 330 CD1 PHE A 25 -4.098 -7.789 -5.369 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.144 -9.695 -6.438 1.00 0.00 C ATOM 332 CE1 PHE A 25 -5.042 -8.597 -4.764 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.087 -10.508 -5.836 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.038 -9.957 -4.999 1.00 0.00 C ATOM 0 H PHE A 25 -0.791 -5.730 -8.140 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.994 -7.488 -8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.244 -8.050 -7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.778 -6.699 -6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.108 -6.725 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.403 -10.130 -7.092 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.783 -8.164 -4.108 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.080 -11.572 -6.020 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.777 -10.589 -4.529 1.00 0.00 H new ATOM 344 N PHE A 26 -3.454 -4.543 -7.517 1.00 0.00 N ATOM 345 CA PHE A 26 -4.460 -3.550 -7.159 1.00 0.00 C ATOM 346 C PHE A 26 -4.975 -2.824 -8.398 1.00 0.00 C ATOM 347 O PHE A 26 -5.872 -1.988 -8.313 1.00 0.00 O ATOM 348 CB PHE A 26 -3.879 -2.540 -6.166 1.00 0.00 C ATOM 349 CG PHE A 26 -3.675 -3.103 -4.789 1.00 0.00 C ATOM 350 CD1 PHE A 26 -4.727 -3.686 -4.101 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.430 -3.051 -4.182 1.00 0.00 C ATOM 352 CE1 PHE A 26 -4.541 -4.204 -2.832 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.238 -3.568 -2.915 1.00 0.00 C ATOM 354 CZ PHE A 26 -3.295 -4.146 -2.239 1.00 0.00 C ATOM 0 H PHE A 26 -2.501 -4.181 -7.562 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.296 -4.070 -6.692 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.924 -2.177 -6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.545 -1.680 -6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.703 -3.737 -4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.600 -2.601 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.370 -4.654 -2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.263 -3.520 -2.454 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.147 -4.552 -1.249 1.00 0.00 H new ATOM 364 N SER A 27 -4.397 -3.151 -9.550 1.00 0.00 N ATOM 365 CA SER A 27 -4.793 -2.528 -10.807 1.00 0.00 C ATOM 366 C SER A 27 -6.058 -3.177 -11.361 1.00 0.00 C ATOM 367 O SER A 27 -6.811 -2.554 -12.108 1.00 0.00 O ATOM 368 CB SER A 27 -3.661 -2.634 -11.831 1.00 0.00 C ATOM 369 OG SER A 27 -3.333 -3.988 -12.091 1.00 0.00 O ATOM 0 H SER A 27 -3.653 -3.844 -9.638 1.00 0.00 H new ATOM 0 HA SER A 27 -5.001 -1.476 -10.613 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.958 -2.144 -12.758 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.781 -2.108 -11.461 1.00 0.00 H new ATOM 0 HG SER A 27 -3.247 -4.472 -11.243 1.00 0.00 H new ATOM 375 N GLN A 28 -6.283 -4.433 -10.988 1.00 0.00 N ATOM 376 CA GLN A 28 -7.456 -5.167 -11.448 1.00 0.00 C ATOM 377 C GLN A 28 -8.707 -4.718 -10.700 1.00 0.00 C ATOM 378 O GLN A 28 -9.824 -5.088 -11.060 1.00 0.00 O ATOM 379 CB GLN A 28 -7.248 -6.671 -11.261 1.00 0.00 C ATOM 380 CG GLN A 28 -6.737 -7.048 -9.879 1.00 0.00 C ATOM 381 CD GLN A 28 -6.762 -8.543 -9.635 1.00 0.00 C ATOM 382 OE1 GLN A 28 -7.770 -9.207 -9.882 1.00 0.00 O ATOM 383 NE2 GLN A 28 -5.652 -9.083 -9.146 1.00 0.00 N ATOM 0 H GLN A 28 -5.669 -4.963 -10.369 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.593 -4.955 -12.508 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.192 -7.185 -11.443 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.541 -7.027 -12.010 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.717 -6.682 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.344 -6.550 -9.123 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.840 -8.496 -8.956 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.611 -10.085 -8.960 1.00 0.00 H new ATOM 392 N TYR A 29 -8.512 -3.920 -9.655 1.00 0.00 N ATOM 393 CA TYR A 29 -9.624 -3.422 -8.855 1.00 0.00 C ATOM 394 C TYR A 29 -9.956 -1.979 -9.220 1.00 0.00 C ATOM 395 O TYR A 29 -11.113 -1.563 -9.167 1.00 0.00 O ATOM 396 CB TYR A 29 -9.290 -3.520 -7.365 1.00 0.00 C ATOM 397 CG TYR A 29 -9.143 -4.940 -6.869 1.00 0.00 C ATOM 398 CD1 TYR A 29 -7.950 -5.633 -7.028 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.199 -5.589 -6.239 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.812 -6.931 -6.577 1.00 0.00 C ATOM 401 CE2 TYR A 29 -10.070 -6.886 -5.783 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.874 -7.554 -5.955 1.00 0.00 C ATOM 403 OH TYR A 29 -8.740 -8.846 -5.503 1.00 0.00 O ATOM 0 H TYR A 29 -7.594 -3.605 -9.343 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.497 -4.040 -9.067 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.363 -2.979 -7.173 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.073 -3.023 -6.792 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.116 -5.148 -7.513 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.136 -5.070 -6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.877 -7.456 -6.711 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.900 -7.375 -5.295 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.579 -9.136 -5.088 1.00 0.00 H new ATOM 413 N GLY A 30 -8.931 -1.218 -9.592 1.00 0.00 N ATOM 414 CA GLY A 30 -9.132 0.170 -9.962 1.00 0.00 C ATOM 415 C GLY A 30 -7.859 0.831 -10.451 1.00 0.00 C ATOM 416 O GLY A 30 -6.784 0.230 -10.412 1.00 0.00 O ATOM 0 H GLY A 30 -7.964 -1.539 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.891 0.228 -10.742 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.516 0.720 -9.103 1.00 0.00 H new ATOM 420 N ASP A 31 -7.977 2.070 -10.914 1.00 0.00 N ATOM 421 CA ASP A 31 -6.826 2.813 -11.415 1.00 0.00 C ATOM 422 C ASP A 31 -5.893 3.202 -10.272 1.00 0.00 C ATOM 423 O ASP A 31 -5.903 4.343 -9.809 1.00 0.00 O ATOM 424 CB ASP A 31 -7.286 4.066 -12.162 1.00 0.00 C ATOM 425 CG ASP A 31 -7.668 3.773 -13.600 1.00 0.00 C ATOM 426 OD1 ASP A 31 -8.608 2.981 -13.815 1.00 0.00 O ATOM 427 OD2 ASP A 31 -7.026 4.336 -14.511 1.00 0.00 O ATOM 0 H ASP A 31 -8.858 2.582 -10.953 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.280 2.169 -12.104 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.140 4.502 -11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.489 4.809 -12.145 1.00 0.00 H new ATOM 432 N VAL A 32 -5.087 2.246 -9.821 1.00 0.00 N ATOM 433 CA VAL A 32 -4.147 2.488 -8.733 1.00 0.00 C ATOM 434 C VAL A 32 -3.081 3.497 -9.142 1.00 0.00 C ATOM 435 O VAL A 32 -2.227 3.209 -9.980 1.00 0.00 O ATOM 436 CB VAL A 32 -3.459 1.185 -8.285 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.725 0.541 -9.451 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.508 1.456 -7.130 1.00 0.00 C ATOM 0 H VAL A 32 -5.066 1.296 -10.193 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.724 2.890 -7.900 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.224 0.490 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.245 -0.378 -9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.435 0.311 -10.245 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.968 1.228 -9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.030 0.525 -6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.746 2.168 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.065 1.869 -6.289 1.00 0.00 H new ATOM 448 N MET A 33 -3.136 4.684 -8.545 1.00 0.00 N ATOM 449 CA MET A 33 -2.173 5.737 -8.846 1.00 0.00 C ATOM 450 C MET A 33 -0.745 5.229 -8.684 1.00 0.00 C ATOM 451 O MET A 33 0.031 5.214 -9.641 1.00 0.00 O ATOM 452 CB MET A 33 -2.404 6.944 -7.936 1.00 0.00 C ATOM 453 CG MET A 33 -3.669 7.721 -8.265 1.00 0.00 C ATOM 454 SD MET A 33 -3.329 9.278 -9.108 1.00 0.00 S ATOM 455 CE MET A 33 -2.857 10.315 -7.727 1.00 0.00 C ATOM 0 H MET A 33 -3.837 4.940 -7.850 1.00 0.00 H new ATOM 0 HA MET A 33 -2.316 6.041 -9.883 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.455 6.604 -6.902 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.547 7.613 -8.010 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.315 7.107 -8.892 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.216 7.923 -7.344 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.616 11.315 -8.088 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.683 10.375 -7.018 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.985 9.888 -7.233 1.00 0.00 H new ATOM 465 N ASP A 34 -0.402 4.814 -7.470 1.00 0.00 N ATOM 466 CA ASP A 34 0.934 4.305 -7.184 1.00 0.00 C ATOM 467 C ASP A 34 0.956 3.555 -5.855 1.00 0.00 C ATOM 468 O ASP A 34 0.015 3.638 -5.067 1.00 0.00 O ATOM 469 CB ASP A 34 1.944 5.452 -7.152 1.00 0.00 C ATOM 470 CG ASP A 34 3.174 5.164 -7.991 1.00 0.00 C ATOM 471 OD1 ASP A 34 3.024 4.957 -9.213 1.00 0.00 O ATOM 472 OD2 ASP A 34 4.287 5.143 -7.424 1.00 0.00 O ATOM 0 H ASP A 34 -1.031 4.820 -6.667 1.00 0.00 H new ATOM 0 HA ASP A 34 1.209 3.611 -7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.467 6.363 -7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.246 5.638 -6.121 1.00 0.00 H new ATOM 477 N VAL A 35 2.037 2.819 -5.615 1.00 0.00 N ATOM 478 CA VAL A 35 2.183 2.054 -4.382 1.00 0.00 C ATOM 479 C VAL A 35 3.564 2.257 -3.769 1.00 0.00 C ATOM 480 O VAL A 35 4.576 1.859 -4.348 1.00 0.00 O ATOM 481 CB VAL A 35 1.955 0.551 -4.625 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.303 -0.251 -3.380 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.519 0.292 -5.052 1.00 0.00 C ATOM 0 H VAL A 35 2.824 2.736 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 35 1.425 2.421 -3.689 1.00 0.00 H new ATOM 0 HB VAL A 35 2.613 0.228 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.135 -1.311 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.350 -0.090 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.673 0.072 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.376 -0.776 -5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.160 0.631 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.310 0.835 -5.974 1.00 0.00 H new ATOM 493 N PHE A 36 3.600 2.877 -2.595 1.00 0.00 N ATOM 494 CA PHE A 36 4.859 3.132 -1.903 1.00 0.00 C ATOM 495 C PHE A 36 4.973 2.271 -0.649 1.00 0.00 C ATOM 496 O PHE A 36 3.971 1.803 -0.109 1.00 0.00 O ATOM 497 CB PHE A 36 4.969 4.611 -1.531 1.00 0.00 C ATOM 498 CG PHE A 36 6.044 4.898 -0.521 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.376 4.667 -0.824 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.721 5.398 0.731 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.366 4.929 0.104 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.707 5.661 1.662 1.00 0.00 C ATOM 503 CZ PHE A 36 8.032 5.427 1.348 1.00 0.00 C ATOM 0 H PHE A 36 2.772 3.212 -2.102 1.00 0.00 H new ATOM 0 HA PHE A 36 5.675 2.872 -2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.165 5.190 -2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.011 4.950 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.643 4.278 -1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.687 5.584 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.401 4.744 -0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.442 6.049 2.634 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.805 5.633 2.074 1.00 0.00 H new ATOM 513 N ILE A 37 6.204 2.064 -0.191 1.00 0.00 N ATOM 514 CA ILE A 37 6.452 1.260 0.999 1.00 0.00 C ATOM 515 C ILE A 37 7.303 2.021 2.009 1.00 0.00 C ATOM 516 O ILE A 37 8.531 2.049 1.927 1.00 0.00 O ATOM 517 CB ILE A 37 7.153 -0.066 0.647 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.352 -0.826 -0.412 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.334 -0.917 1.895 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.096 -2.005 -1.000 1.00 0.00 C ATOM 0 H ILE A 37 7.045 2.442 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 37 5.480 1.041 1.440 1.00 0.00 H new ATOM 0 HB ILE A 37 8.138 0.158 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.421 -1.179 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.083 -0.139 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.831 -1.850 1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.942 -0.375 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.359 -1.136 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.469 -2.497 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.014 -1.657 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.342 -2.712 -0.208 1.00 0.00 H new ATOM 532 N PRO A 38 6.638 2.653 2.987 1.00 0.00 N ATOM 533 CA PRO A 38 7.314 3.423 4.035 1.00 0.00 C ATOM 534 C PRO A 38 8.088 2.534 5.001 1.00 0.00 C ATOM 535 O PRO A 38 7.673 1.413 5.298 1.00 0.00 O ATOM 536 CB PRO A 38 6.162 4.125 4.760 1.00 0.00 C ATOM 537 CG PRO A 38 4.977 3.257 4.514 1.00 0.00 C ATOM 538 CD PRO A 38 5.174 2.662 3.147 1.00 0.00 C ATOM 0 HA PRO A 38 8.056 4.107 3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.366 4.224 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.004 5.131 4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.901 2.477 5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.054 3.835 4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.756 1.657 3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.689 3.259 2.375 1.00 0.00 H new ATOM 546 N LYS A 39 9.215 3.039 5.491 1.00 0.00 N ATOM 547 CA LYS A 39 10.047 2.292 6.426 1.00 0.00 C ATOM 548 C LYS A 39 10.026 2.936 7.809 1.00 0.00 C ATOM 549 O LYS A 39 9.807 4.139 7.956 1.00 0.00 O ATOM 550 CB LYS A 39 11.486 2.213 5.911 1.00 0.00 C ATOM 551 CG LYS A 39 11.639 1.359 4.663 1.00 0.00 C ATOM 552 CD LYS A 39 12.423 0.090 4.950 1.00 0.00 C ATOM 553 CE LYS A 39 12.855 -0.599 3.664 1.00 0.00 C ATOM 554 NZ LYS A 39 12.098 -1.860 3.428 1.00 0.00 N ATOM 0 H LYS A 39 9.573 3.964 5.255 1.00 0.00 H new ATOM 0 HA LYS A 39 9.641 1.284 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.843 3.221 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.123 1.809 6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.654 1.100 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.146 1.933 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.302 0.331 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.812 -0.591 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.706 0.077 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.922 -0.819 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.422 -2.299 2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.260 -2.516 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.082 -1.647 3.358 1.00 0.00 H new ATOM 568 N PRO A 40 10.261 2.120 8.846 1.00 0.00 N ATOM 569 CA PRO A 40 10.523 0.687 8.683 1.00 0.00 C ATOM 570 C PRO A 40 9.284 -0.081 8.234 1.00 0.00 C ATOM 571 O PRO A 40 8.210 0.056 8.819 1.00 0.00 O ATOM 572 CB PRO A 40 10.948 0.242 10.085 1.00 0.00 C ATOM 573 CG PRO A 40 10.311 1.227 11.005 1.00 0.00 C ATOM 574 CD PRO A 40 10.288 2.533 10.260 1.00 0.00 C ATOM 0 HA PRO A 40 11.272 0.495 7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.612 -0.773 10.297 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.033 0.247 10.190 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.302 0.914 11.275 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.876 1.317 11.933 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.414 3.129 10.521 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.166 3.139 10.485 1.00 0.00 H new ATOM 582 N PHE A 41 9.442 -0.890 7.191 1.00 0.00 N ATOM 583 CA PHE A 41 8.336 -1.679 6.662 1.00 0.00 C ATOM 584 C PHE A 41 7.976 -2.818 7.613 1.00 0.00 C ATOM 585 O PHE A 41 8.751 -3.757 7.793 1.00 0.00 O ATOM 586 CB PHE A 41 8.696 -2.243 5.285 1.00 0.00 C ATOM 587 CG PHE A 41 7.928 -3.482 4.926 1.00 0.00 C ATOM 588 CD1 PHE A 41 8.376 -4.732 5.324 1.00 0.00 C ATOM 589 CD2 PHE A 41 6.756 -3.398 4.190 1.00 0.00 C ATOM 590 CE1 PHE A 41 7.671 -5.873 4.994 1.00 0.00 C ATOM 591 CE2 PHE A 41 6.046 -4.537 3.858 1.00 0.00 C ATOM 592 CZ PHE A 41 6.504 -5.776 4.260 1.00 0.00 C ATOM 0 H PHE A 41 10.325 -1.016 6.696 1.00 0.00 H new ATOM 0 HA PHE A 41 7.470 -1.024 6.563 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.512 -1.479 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.763 -2.466 5.260 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.287 -4.815 5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.393 -2.432 3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.032 -6.841 5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.134 -4.458 3.285 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.952 -6.667 4.001 1.00 0.00 H new ATOM 602 N ARG A 42 6.797 -2.725 8.218 1.00 0.00 N ATOM 603 CA ARG A 42 6.335 -3.745 9.152 1.00 0.00 C ATOM 604 C ARG A 42 5.164 -4.527 8.566 1.00 0.00 C ATOM 605 O ARG A 42 4.004 -4.244 8.865 1.00 0.00 O ATOM 606 CB ARG A 42 5.922 -3.103 10.478 1.00 0.00 C ATOM 607 CG ARG A 42 5.284 -4.078 11.453 1.00 0.00 C ATOM 608 CD ARG A 42 5.138 -3.466 12.838 1.00 0.00 C ATOM 609 NE ARG A 42 6.328 -3.676 13.657 1.00 0.00 N ATOM 610 CZ ARG A 42 6.706 -4.866 14.114 1.00 0.00 C ATOM 611 NH1 ARG A 42 5.989 -5.945 13.832 1.00 0.00 N ATOM 612 NH2 ARG A 42 7.802 -4.977 14.853 1.00 0.00 N ATOM 0 H ARG A 42 6.144 -1.954 8.078 1.00 0.00 H new ATOM 0 HA ARG A 42 7.158 -4.437 9.332 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.800 -2.657 10.945 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.222 -2.292 10.277 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.304 -4.377 11.081 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.891 -4.981 11.515 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.947 -2.397 12.744 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.273 -3.902 13.337 1.00 0.00 H new ATOM 0 HE ARG A 42 6.901 -2.865 13.892 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.146 -5.863 13.264 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.280 -6.857 14.183 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.356 -4.149 15.071 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.091 -5.891 15.203 1.00 0.00 H new ATOM 626 N ALA A 43 5.476 -5.512 7.731 1.00 0.00 N ATOM 627 CA ALA A 43 4.449 -6.337 7.104 1.00 0.00 C ATOM 628 C ALA A 43 3.272 -5.487 6.636 1.00 0.00 C ATOM 629 O ALA A 43 2.118 -5.904 6.730 1.00 0.00 O ATOM 630 CB ALA A 43 3.976 -7.413 8.069 1.00 0.00 C ATOM 0 H ALA A 43 6.431 -5.759 7.472 1.00 0.00 H new ATOM 0 HA ALA A 43 4.887 -6.817 6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.210 -8.021 7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.818 -8.045 8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.561 -6.944 8.961 1.00 0.00 H new ATOM 636 N PHE A 44 3.572 -4.294 6.135 1.00 0.00 N ATOM 637 CA PHE A 44 2.539 -3.385 5.654 1.00 0.00 C ATOM 638 C PHE A 44 3.105 -2.414 4.621 1.00 0.00 C ATOM 639 O PHE A 44 4.301 -2.126 4.616 1.00 0.00 O ATOM 640 CB PHE A 44 1.931 -2.606 6.823 1.00 0.00 C ATOM 641 CG PHE A 44 2.626 -1.304 7.102 1.00 0.00 C ATOM 642 CD1 PHE A 44 2.429 -0.208 6.277 1.00 0.00 C ATOM 643 CD2 PHE A 44 3.475 -1.176 8.189 1.00 0.00 C ATOM 644 CE1 PHE A 44 3.067 0.992 6.530 1.00 0.00 C ATOM 645 CE2 PHE A 44 4.115 0.022 8.448 1.00 0.00 C ATOM 646 CZ PHE A 44 3.911 1.107 7.617 1.00 0.00 C ATOM 0 H PHE A 44 4.523 -3.934 6.051 1.00 0.00 H new ATOM 0 HA PHE A 44 1.760 -3.980 5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.880 -2.409 6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.965 -3.226 7.719 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.769 -0.292 5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.639 -2.021 8.841 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.906 1.838 5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.774 0.110 9.299 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.411 2.043 7.817 1.00 0.00 H new ATOM 656 N ALA A 45 2.236 -1.913 3.750 1.00 0.00 N ATOM 657 CA ALA A 45 2.648 -0.974 2.714 1.00 0.00 C ATOM 658 C ALA A 45 1.553 0.048 2.433 1.00 0.00 C ATOM 659 O ALA A 45 0.405 -0.127 2.843 1.00 0.00 O ATOM 660 CB ALA A 45 3.016 -1.721 1.440 1.00 0.00 C ATOM 0 H ALA A 45 1.242 -2.142 3.741 1.00 0.00 H new ATOM 0 HA ALA A 45 3.526 -0.437 3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.322 -1.007 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.838 -2.407 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.153 -2.284 1.086 1.00 0.00 H new ATOM 666 N PHE A 46 1.914 1.118 1.732 1.00 0.00 N ATOM 667 CA PHE A 46 0.961 2.171 1.398 1.00 0.00 C ATOM 668 C PHE A 46 0.588 2.116 -0.081 1.00 0.00 C ATOM 669 O PHE A 46 1.449 1.947 -0.944 1.00 0.00 O ATOM 670 CB PHE A 46 1.546 3.544 1.738 1.00 0.00 C ATOM 671 CG PHE A 46 0.555 4.665 1.609 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.518 4.762 2.480 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.697 5.623 0.619 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.432 5.792 2.363 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.213 6.656 0.497 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.278 6.742 1.372 1.00 0.00 C ATOM 0 H PHE A 46 2.859 1.279 1.384 1.00 0.00 H new ATOM 0 HA PHE A 46 0.059 2.012 1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.930 3.524 2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.394 3.742 1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.642 4.024 3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.529 5.562 -0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.266 5.854 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.091 7.395 -0.281 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.989 7.550 1.282 1.00 0.00 H new ATOM 686 N VAL A 47 -0.703 2.262 -0.364 1.00 0.00 N ATOM 687 CA VAL A 47 -1.192 2.230 -1.738 1.00 0.00 C ATOM 688 C VAL A 47 -2.145 3.387 -2.008 1.00 0.00 C ATOM 689 O VAL A 47 -3.122 3.585 -1.284 1.00 0.00 O ATOM 690 CB VAL A 47 -1.911 0.904 -2.047 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.555 0.953 -3.424 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.941 -0.264 -1.945 1.00 0.00 C ATOM 0 H VAL A 47 -1.428 2.403 0.339 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.321 2.322 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.700 0.758 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.058 0.007 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.282 1.765 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.787 1.122 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.466 -1.193 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.129 -0.126 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.532 -0.310 -0.936 1.00 0.00 H new ATOM 702 N THR A 48 -1.857 4.152 -3.057 1.00 0.00 N ATOM 703 CA THR A 48 -2.688 5.291 -3.424 1.00 0.00 C ATOM 704 C THR A 48 -3.504 4.996 -4.678 1.00 0.00 C ATOM 705 O THR A 48 -2.968 4.530 -5.683 1.00 0.00 O ATOM 706 CB THR A 48 -1.839 6.553 -3.664 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.906 6.727 -2.591 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.721 7.788 -3.780 1.00 0.00 C ATOM 0 H THR A 48 -1.054 4.003 -3.667 1.00 0.00 H new ATOM 0 HA THR A 48 -3.364 5.470 -2.588 1.00 0.00 H new ATOM 0 HB THR A 48 -1.297 6.425 -4.601 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.351 6.543 -1.737 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.097 8.666 -3.949 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.410 7.666 -4.616 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.288 7.918 -2.858 1.00 0.00 H new ATOM 716 N PHE A 49 -4.802 5.271 -4.612 1.00 0.00 N ATOM 717 CA PHE A 49 -5.693 5.034 -5.742 1.00 0.00 C ATOM 718 C PHE A 49 -6.159 6.352 -6.353 1.00 0.00 C ATOM 719 O PHE A 49 -6.407 7.325 -5.642 1.00 0.00 O ATOM 720 CB PHE A 49 -6.903 4.208 -5.302 1.00 0.00 C ATOM 721 CG PHE A 49 -6.601 2.745 -5.136 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.592 1.897 -6.232 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.326 2.219 -3.885 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.316 0.551 -6.082 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.049 0.874 -3.728 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.043 0.039 -4.828 1.00 0.00 C ATOM 0 H PHE A 49 -5.261 5.658 -3.788 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.138 4.478 -6.498 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.279 4.603 -4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.700 4.325 -6.036 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.803 2.292 -7.215 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.328 2.868 -3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.314 -0.100 -6.944 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.838 0.477 -2.746 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.825 -1.012 -4.708 1.00 0.00 H new ATOM 736 N ALA A 50 -6.273 6.377 -7.677 1.00 0.00 N ATOM 737 CA ALA A 50 -6.710 7.574 -8.384 1.00 0.00 C ATOM 738 C ALA A 50 -8.092 8.016 -7.914 1.00 0.00 C ATOM 739 O ALA A 50 -8.476 9.173 -8.086 1.00 0.00 O ATOM 740 CB ALA A 50 -6.715 7.327 -9.885 1.00 0.00 C ATOM 0 H ALA A 50 -6.069 5.581 -8.282 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.006 8.376 -8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.043 8.229 -10.401 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.709 7.066 -10.214 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.396 6.508 -10.117 1.00 0.00 H new ATOM 746 N ASP A 51 -8.834 7.088 -7.321 1.00 0.00 N ATOM 747 CA ASP A 51 -10.174 7.383 -6.825 1.00 0.00 C ATOM 748 C ASP A 51 -10.322 6.950 -5.370 1.00 0.00 C ATOM 749 O ASP A 51 -9.798 5.912 -4.963 1.00 0.00 O ATOM 750 CB ASP A 51 -11.225 6.682 -7.687 1.00 0.00 C ATOM 751 CG ASP A 51 -12.276 7.641 -8.211 1.00 0.00 C ATOM 752 OD1 ASP A 51 -13.138 8.068 -7.416 1.00 0.00 O ATOM 753 OD2 ASP A 51 -12.237 7.964 -9.417 1.00 0.00 O ATOM 0 H ASP A 51 -8.531 6.125 -7.172 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.327 8.461 -6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.733 6.191 -8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.710 5.901 -7.101 1.00 0.00 H new ATOM 758 N ASP A 52 -11.037 7.752 -4.589 1.00 0.00 N ATOM 759 CA ASP A 52 -11.254 7.453 -3.178 1.00 0.00 C ATOM 760 C ASP A 52 -12.255 6.314 -3.013 1.00 0.00 C ATOM 761 O ASP A 52 -12.191 5.555 -2.045 1.00 0.00 O ATOM 762 CB ASP A 52 -11.753 8.697 -2.442 1.00 0.00 C ATOM 763 CG ASP A 52 -12.887 9.388 -3.174 1.00 0.00 C ATOM 764 OD1 ASP A 52 -12.622 10.020 -4.219 1.00 0.00 O ATOM 765 OD2 ASP A 52 -14.039 9.296 -2.702 1.00 0.00 O ATOM 0 H ASP A 52 -11.477 8.615 -4.909 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.302 7.143 -2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.088 8.415 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.927 9.396 -2.316 1.00 0.00 H new ATOM 770 N GLN A 53 -13.179 6.202 -3.961 1.00 0.00 N ATOM 771 CA GLN A 53 -14.194 5.156 -3.918 1.00 0.00 C ATOM 772 C GLN A 53 -13.558 3.774 -4.036 1.00 0.00 C ATOM 773 O GLN A 53 -14.147 2.773 -3.630 1.00 0.00 O ATOM 774 CB GLN A 53 -15.213 5.358 -5.041 1.00 0.00 C ATOM 775 CG GLN A 53 -15.979 6.667 -4.939 1.00 0.00 C ATOM 776 CD GLN A 53 -17.479 6.461 -4.862 1.00 0.00 C ATOM 777 OE1 GLN A 53 -17.954 5.493 -4.266 1.00 0.00 O ATOM 778 NE2 GLN A 53 -18.234 7.372 -5.463 1.00 0.00 N ATOM 0 H GLN A 53 -13.246 6.822 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.705 5.220 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.696 5.323 -6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.922 4.530 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.645 7.211 -4.056 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.745 7.289 -5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.798 8.158 -5.945 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.250 7.286 -5.443 1.00 0.00 H new ATOM 787 N ILE A 54 -12.353 3.728 -4.594 1.00 0.00 N ATOM 788 CA ILE A 54 -11.638 2.471 -4.763 1.00 0.00 C ATOM 789 C ILE A 54 -10.964 2.041 -3.464 1.00 0.00 C ATOM 790 O ILE A 54 -10.997 0.867 -3.095 1.00 0.00 O ATOM 791 CB ILE A 54 -10.573 2.574 -5.871 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.210 3.043 -7.179 1.00 0.00 C ATOM 793 CG2 ILE A 54 -9.878 1.234 -6.065 1.00 0.00 C ATOM 794 CD1 ILE A 54 -11.985 1.961 -7.898 1.00 0.00 C ATOM 0 H ILE A 54 -11.852 4.548 -4.937 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.378 1.724 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.826 3.308 -5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.878 3.878 -6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.429 3.418 -7.840 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.128 1.323 -6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.394 0.937 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.613 0.481 -6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.409 2.366 -8.817 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.317 1.135 -8.140 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.789 1.601 -7.256 1.00 0.00 H new ATOM 806 N ALA A 55 -10.357 3.000 -2.775 1.00 0.00 N ATOM 807 CA ALA A 55 -9.678 2.723 -1.515 1.00 0.00 C ATOM 808 C ALA A 55 -10.682 2.533 -0.382 1.00 0.00 C ATOM 809 O ALA A 55 -10.434 1.780 0.559 1.00 0.00 O ATOM 810 CB ALA A 55 -8.707 3.845 -1.179 1.00 0.00 C ATOM 0 H ALA A 55 -10.321 3.976 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.117 1.795 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.208 3.624 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.964 3.932 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.253 4.784 -1.089 1.00 0.00 H new ATOM 816 N GLN A 56 -11.815 3.221 -0.479 1.00 0.00 N ATOM 817 CA GLN A 56 -12.855 3.128 0.538 1.00 0.00 C ATOM 818 C GLN A 56 -13.577 1.788 0.458 1.00 0.00 C ATOM 819 O GLN A 56 -13.803 1.130 1.474 1.00 0.00 O ATOM 820 CB GLN A 56 -13.857 4.273 0.379 1.00 0.00 C ATOM 821 CG GLN A 56 -13.804 5.289 1.507 1.00 0.00 C ATOM 822 CD GLN A 56 -14.339 6.647 1.095 1.00 0.00 C ATOM 823 OE1 GLN A 56 -15.453 6.758 0.583 1.00 0.00 O ATOM 824 NE2 GLN A 56 -13.546 7.689 1.317 1.00 0.00 N ATOM 0 H GLN A 56 -12.036 3.849 -1.252 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.380 3.205 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.667 4.782 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.863 3.858 0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.381 4.917 2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.774 5.396 1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.630 7.551 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.853 8.627 1.061 1.00 0.00 H new ATOM 833 N SER A 57 -13.940 1.389 -0.757 1.00 0.00 N ATOM 834 CA SER A 57 -14.641 0.128 -0.970 1.00 0.00 C ATOM 835 C SER A 57 -13.751 -1.057 -0.609 1.00 0.00 C ATOM 836 O SER A 57 -14.224 -2.070 -0.093 1.00 0.00 O ATOM 837 CB SER A 57 -15.097 0.013 -2.426 1.00 0.00 C ATOM 838 OG SER A 57 -16.315 -0.704 -2.524 1.00 0.00 O ATOM 0 H SER A 57 -13.760 1.921 -1.609 1.00 0.00 H new ATOM 0 HA SER A 57 -15.516 0.114 -0.320 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.223 1.009 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.328 -0.489 -3.013 1.00 0.00 H new ATOM 0 HG SER A 57 -16.586 -0.762 -3.464 1.00 0.00 H new ATOM 844 N LEU A 58 -12.458 -0.923 -0.885 1.00 0.00 N ATOM 845 CA LEU A 58 -11.499 -1.982 -0.591 1.00 0.00 C ATOM 846 C LEU A 58 -11.252 -2.090 0.912 1.00 0.00 C ATOM 847 O LEU A 58 -10.841 -3.139 1.409 1.00 0.00 O ATOM 848 CB LEU A 58 -10.179 -1.720 -1.319 1.00 0.00 C ATOM 849 CG LEU A 58 -9.982 -2.465 -2.640 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.660 -2.072 -3.280 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.044 -3.969 -2.418 1.00 0.00 C ATOM 0 H LEU A 58 -12.050 -0.091 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.918 -2.925 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.100 -0.650 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.360 -1.984 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.788 -2.185 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.536 -2.611 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.654 -0.999 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.841 -2.323 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.902 -4.483 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.259 -4.267 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.016 -4.236 -2.003 1.00 0.00 H new ATOM 863 N CYS A 59 -11.507 -1.000 1.627 1.00 0.00 N ATOM 864 CA CYS A 59 -11.312 -0.972 3.073 1.00 0.00 C ATOM 865 C CYS A 59 -12.267 -1.938 3.768 1.00 0.00 C ATOM 866 O CYS A 59 -13.476 -1.714 3.805 1.00 0.00 O ATOM 867 CB CYS A 59 -11.523 0.444 3.609 1.00 0.00 C ATOM 868 SG CYS A 59 -11.423 0.574 5.410 1.00 0.00 S ATOM 0 H CYS A 59 -11.849 -0.125 1.230 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.289 -1.284 3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.777 1.104 3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.499 0.803 3.283 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.613 1.810 5.767 1.00 0.00 H new ATOM 874 N GLY A 60 -11.714 -3.017 4.316 1.00 0.00 N ATOM 875 CA GLY A 60 -12.530 -4.002 5.001 1.00 0.00 C ATOM 876 C GLY A 60 -12.668 -5.289 4.212 1.00 0.00 C ATOM 877 O GLY A 60 -13.353 -6.216 4.642 1.00 0.00 O ATOM 0 H GLY A 60 -10.716 -3.226 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.090 -4.221 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.520 -3.585 5.186 1.00 0.00 H new ATOM 881 N GLU A 61 -12.018 -5.344 3.054 1.00 0.00 N ATOM 882 CA GLU A 61 -12.074 -6.527 2.203 1.00 0.00 C ATOM 883 C GLU A 61 -10.811 -7.369 2.357 1.00 0.00 C ATOM 884 O GLU A 61 -9.712 -6.836 2.518 1.00 0.00 O ATOM 885 CB GLU A 61 -12.254 -6.121 0.739 1.00 0.00 C ATOM 886 CG GLU A 61 -13.344 -5.084 0.525 1.00 0.00 C ATOM 887 CD GLU A 61 -14.058 -5.254 -0.803 1.00 0.00 C ATOM 888 OE1 GLU A 61 -14.316 -6.412 -1.193 1.00 0.00 O ATOM 889 OE2 GLU A 61 -14.359 -4.230 -1.451 1.00 0.00 O ATOM 0 H GLU A 61 -11.447 -4.584 2.684 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.929 -7.127 2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.310 -5.727 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.488 -7.008 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.070 -5.153 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.906 -4.087 0.573 1.00 0.00 H new ATOM 896 N ASP A 62 -10.976 -8.686 2.306 1.00 0.00 N ATOM 897 CA ASP A 62 -9.849 -9.603 2.440 1.00 0.00 C ATOM 898 C ASP A 62 -9.386 -10.097 1.073 1.00 0.00 C ATOM 899 O ASP A 62 -10.078 -10.876 0.414 1.00 0.00 O ATOM 900 CB ASP A 62 -10.233 -10.792 3.321 1.00 0.00 C ATOM 901 CG ASP A 62 -11.148 -11.770 2.611 1.00 0.00 C ATOM 902 OD1 ASP A 62 -12.218 -11.339 2.130 1.00 0.00 O ATOM 903 OD2 ASP A 62 -10.795 -12.966 2.534 1.00 0.00 O ATOM 0 H ASP A 62 -11.878 -9.143 2.173 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.027 -9.063 2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.329 -11.311 3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.726 -10.428 4.223 1.00 0.00 H new ATOM 908 N LEU A 63 -8.213 -9.639 0.650 1.00 0.00 N ATOM 909 CA LEU A 63 -7.657 -10.034 -0.640 1.00 0.00 C ATOM 910 C LEU A 63 -6.496 -11.006 -0.459 1.00 0.00 C ATOM 911 O LEU A 63 -5.717 -10.889 0.489 1.00 0.00 O ATOM 912 CB LEU A 63 -7.187 -8.800 -1.414 1.00 0.00 C ATOM 913 CG LEU A 63 -8.008 -7.527 -1.207 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.326 -6.340 -1.871 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.417 -7.706 -1.750 1.00 0.00 C ATOM 0 H LEU A 63 -7.628 -8.994 1.181 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.441 -10.535 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.154 -8.592 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.188 -9.040 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.076 -7.331 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.924 -5.442 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.337 -6.198 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.228 -6.528 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.986 -6.790 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.371 -7.927 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.906 -8.530 -1.230 1.00 0.00 H new ATOM 927 N ILE A 64 -6.384 -11.964 -1.372 1.00 0.00 N ATOM 928 CA ILE A 64 -5.316 -12.955 -1.314 1.00 0.00 C ATOM 929 C ILE A 64 -4.238 -12.661 -2.351 1.00 0.00 C ATOM 930 O ILE A 64 -4.516 -12.593 -3.549 1.00 0.00 O ATOM 931 CB ILE A 64 -5.856 -14.379 -1.540 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.882 -14.736 -0.463 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.714 -15.384 -1.546 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.279 -14.905 0.914 1.00 0.00 C ATOM 0 H ILE A 64 -7.020 -12.075 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.883 -12.895 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.350 -14.414 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.643 -13.956 -0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.387 -15.660 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.112 -16.386 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.017 -15.138 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.194 -15.350 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.064 -15.157 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.539 -15.705 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.799 -13.975 1.218 1.00 0.00 H new ATOM 946 N ILE A 65 -3.006 -12.490 -1.884 1.00 0.00 N ATOM 947 CA ILE A 65 -1.885 -12.206 -2.771 1.00 0.00 C ATOM 948 C ILE A 65 -0.771 -13.233 -2.594 1.00 0.00 C ATOM 949 O ILE A 65 -0.188 -13.355 -1.517 1.00 0.00 O ATOM 950 CB ILE A 65 -1.313 -10.797 -2.524 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.430 -9.753 -2.576 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.233 -10.477 -3.546 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.991 -8.375 -2.133 1.00 0.00 C ATOM 0 H ILE A 65 -2.759 -12.543 -0.896 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.268 -12.260 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.864 -10.772 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.813 -9.693 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.255 -10.083 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.161 -9.478 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.573 -11.206 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.658 -10.517 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.834 -7.687 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.635 -8.420 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.187 -8.024 -2.780 1.00 0.00 H new ATOM 965 N LYS A 66 -0.480 -13.970 -3.661 1.00 0.00 N ATOM 966 CA LYS A 66 0.566 -14.985 -3.627 1.00 0.00 C ATOM 967 C LYS A 66 0.209 -16.102 -2.652 1.00 0.00 C ATOM 968 O LYS A 66 1.079 -16.838 -2.190 1.00 0.00 O ATOM 969 CB LYS A 66 1.904 -14.356 -3.229 1.00 0.00 C ATOM 970 CG LYS A 66 2.361 -13.254 -4.169 1.00 0.00 C ATOM 971 CD LYS A 66 3.850 -12.984 -4.028 1.00 0.00 C ATOM 972 CE LYS A 66 4.518 -12.822 -5.386 1.00 0.00 C ATOM 973 NZ LYS A 66 5.220 -14.063 -5.810 1.00 0.00 N ATOM 0 H LYS A 66 -0.954 -13.883 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 66 0.655 -15.412 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.820 -13.950 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.667 -15.134 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.137 -13.536 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.803 -12.341 -3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.003 -12.082 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.320 -13.804 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.767 -12.557 -6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.230 -11.998 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.662 -13.912 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.954 -14.302 -5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.536 -14.844 -5.875 1.00 0.00 H new ATOM 987 N GLY A 67 -1.080 -16.225 -2.347 1.00 0.00 N ATOM 988 CA GLY A 67 -1.530 -17.257 -1.431 1.00 0.00 C ATOM 989 C GLY A 67 -1.740 -16.731 -0.024 1.00 0.00 C ATOM 990 O GLY A 67 -2.476 -17.326 0.764 1.00 0.00 O ATOM 0 H GLY A 67 -1.820 -15.629 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.463 -17.684 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.797 -18.064 -1.409 1.00 0.00 H new ATOM 994 N ILE A 68 -1.091 -15.616 0.292 1.00 0.00 N ATOM 995 CA ILE A 68 -1.212 -15.012 1.613 1.00 0.00 C ATOM 996 C ILE A 68 -2.473 -14.161 1.716 1.00 0.00 C ATOM 997 O ILE A 68 -3.075 -13.799 0.705 1.00 0.00 O ATOM 998 CB ILE A 68 0.011 -14.137 1.945 1.00 0.00 C ATOM 999 CG1 ILE A 68 -0.084 -12.792 1.220 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.296 -14.858 1.568 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.341 -11.624 2.145 1.00 0.00 C ATOM 0 H ILE A 68 -0.476 -15.113 -0.348 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.270 -15.831 2.330 1.00 0.00 H new ATOM 0 HB ILE A 68 0.024 -13.949 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.843 -12.616 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.884 -12.842 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.151 -14.227 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.366 -15.792 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.293 -15.073 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.396 -10.704 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.283 -11.777 2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.471 -11.547 2.868 1.00 0.00 H new ATOM 1013 N SER A 69 -2.868 -13.844 2.945 1.00 0.00 N ATOM 1014 CA SER A 69 -4.060 -13.038 3.182 1.00 0.00 C ATOM 1015 C SER A 69 -3.687 -11.669 3.742 1.00 0.00 C ATOM 1016 O SER A 69 -2.886 -11.563 4.671 1.00 0.00 O ATOM 1017 CB SER A 69 -5.005 -13.757 4.146 1.00 0.00 C ATOM 1018 OG SER A 69 -6.214 -13.035 4.309 1.00 0.00 O ATOM 0 H SER A 69 -2.380 -14.133 3.792 1.00 0.00 H new ATOM 0 HA SER A 69 -4.567 -12.895 2.228 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.223 -14.756 3.769 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.518 -13.880 5.113 1.00 0.00 H new ATOM 0 HG SER A 69 -6.801 -13.516 4.928 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.275 -10.623 3.171 1.00 0.00 N ATOM 1025 CA VAL A 70 -4.006 -9.259 3.613 1.00 0.00 C ATOM 1026 C VAL A 70 -5.297 -8.536 3.980 1.00 0.00 C ATOM 1027 O VAL A 70 -6.366 -8.844 3.451 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.270 -8.452 2.528 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.800 -8.838 2.480 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -3.928 -8.659 1.172 1.00 0.00 C ATOM 0 H VAL A 70 -4.941 -10.693 2.401 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.370 -9.332 4.495 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.335 -7.394 2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.296 -8.257 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.338 -8.634 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.710 -9.900 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.395 -8.081 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.896 -9.716 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.965 -8.328 1.217 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.191 -7.574 4.891 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.351 -6.805 5.329 1.00 0.00 C ATOM 1042 C HIS A 71 -6.205 -5.335 4.946 1.00 0.00 C ATOM 1043 O HIS A 71 -5.242 -4.675 5.334 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.532 -6.934 6.842 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.681 -6.136 7.377 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -8.932 -6.672 7.599 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.762 -4.833 7.738 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -9.733 -5.734 8.072 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -9.048 -4.608 8.165 1.00 0.00 N ATOM 0 H HIS A 71 -4.315 -7.308 5.340 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.232 -7.207 4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.681 -7.984 7.094 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.616 -6.614 7.338 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.964 -4.106 7.698 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.772 -5.865 8.338 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.414 -3.717 8.499 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.168 -4.831 4.180 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.146 -3.441 3.745 1.00 0.00 C ATOM 1059 C ILE A 72 -7.797 -2.530 4.780 1.00 0.00 C ATOM 1060 O ILE A 72 -8.915 -2.784 5.229 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.866 -3.262 2.395 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.387 -4.315 1.393 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.632 -1.861 1.851 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -5.937 -4.153 0.994 1.00 0.00 C ATOM 0 H ILE A 72 -7.972 -5.365 3.849 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.098 -3.164 3.629 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.936 -3.396 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.528 -5.306 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.009 -4.264 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.147 -1.750 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.017 -1.127 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.564 -1.700 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.666 -4.933 0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.793 -3.176 0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.305 -4.234 1.878 1.00 0.00 H new ATOM 1076 N SER A 73 -7.092 -1.467 5.153 1.00 0.00 N ATOM 1077 CA SER A 73 -7.601 -0.519 6.137 1.00 0.00 C ATOM 1078 C SER A 73 -7.139 0.899 5.814 1.00 0.00 C ATOM 1079 O SER A 73 -6.104 1.098 5.181 1.00 0.00 O ATOM 1080 CB SER A 73 -7.136 -0.911 7.541 1.00 0.00 C ATOM 1081 OG SER A 73 -5.726 -1.036 7.596 1.00 0.00 O ATOM 0 H SER A 73 -6.167 -1.241 4.789 1.00 0.00 H new ATOM 0 HA SER A 73 -8.690 -0.545 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.466 -0.160 8.259 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.599 -1.854 7.831 1.00 0.00 H new ATOM 0 HG SER A 73 -5.455 -1.286 8.504 1.00 0.00 H new ATOM 1087 N ASN A 74 -7.917 1.883 6.255 1.00 0.00 N ATOM 1088 CA ASN A 74 -7.590 3.283 6.013 1.00 0.00 C ATOM 1089 C ASN A 74 -7.191 3.981 7.310 1.00 0.00 C ATOM 1090 O ASN A 74 -8.028 4.222 8.180 1.00 0.00 O ATOM 1091 CB ASN A 74 -8.781 4.004 5.378 1.00 0.00 C ATOM 1092 CG ASN A 74 -8.381 5.307 4.715 1.00 0.00 C ATOM 1093 OD1 ASN A 74 -8.449 5.442 3.493 1.00 0.00 O ATOM 1094 ND2 ASN A 74 -7.959 6.276 5.520 1.00 0.00 N ATOM 0 H ASN A 74 -8.778 1.736 6.782 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.744 3.319 5.327 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.246 3.351 4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.531 4.204 6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.675 7.175 5.131 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.919 6.121 6.527 1.00 0.00 H new ATOM 1101 N ALA A 75 -5.908 4.302 7.432 1.00 0.00 N ATOM 1102 CA ALA A 75 -5.398 4.975 8.620 1.00 0.00 C ATOM 1103 C ALA A 75 -4.472 6.126 8.246 1.00 0.00 C ATOM 1104 O ALA A 75 -3.823 6.097 7.200 1.00 0.00 O ATOM 1105 CB ALA A 75 -4.675 3.982 9.519 1.00 0.00 C ATOM 0 H ALA A 75 -5.202 4.107 6.722 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.246 5.390 9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.299 4.498 10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.367 3.197 9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.841 3.539 8.975 1.00 0.00 H new ATOM 1111 N GLU A 76 -4.415 7.137 9.106 1.00 0.00 N ATOM 1112 CA GLU A 76 -3.567 8.300 8.863 1.00 0.00 C ATOM 1113 C GLU A 76 -2.889 8.757 10.150 1.00 0.00 C ATOM 1114 O GLU A 76 -3.429 9.556 10.916 1.00 0.00 O ATOM 1115 CB GLU A 76 -4.393 9.445 8.273 1.00 0.00 C ATOM 1116 CG GLU A 76 -5.132 9.070 7.000 1.00 0.00 C ATOM 1117 CD GLU A 76 -4.641 9.842 5.791 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -4.899 11.062 5.720 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -3.998 9.226 4.915 1.00 0.00 O ATOM 0 H GLU A 76 -4.945 7.175 9.977 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.795 8.013 8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.115 9.781 9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.734 10.288 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.014 8.002 6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.198 9.254 7.136 1.00 0.00 H new ATOM 1126 N PRO A 77 -1.676 8.240 10.396 1.00 0.00 N ATOM 1127 CA PRO A 77 -0.897 8.580 11.590 1.00 0.00 C ATOM 1128 C PRO A 77 -0.386 10.016 11.558 1.00 0.00 C ATOM 1129 O PRO A 77 0.284 10.427 10.609 1.00 0.00 O ATOM 1130 CB PRO A 77 0.273 7.595 11.543 1.00 0.00 C ATOM 1131 CG PRO A 77 0.416 7.245 10.102 1.00 0.00 C ATOM 1132 CD PRO A 77 -0.972 7.282 9.526 1.00 0.00 C ATOM 0 HA PRO A 77 -1.494 8.510 12.500 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.186 8.045 11.933 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.070 6.711 12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.069 7.953 9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.862 6.257 9.983 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.967 7.611 8.487 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.442 6.299 9.547 1.00 0.00 H new ATOM 1140 N LYS A 78 -0.704 10.776 12.601 1.00 0.00 N ATOM 1141 CA LYS A 78 -0.275 12.167 12.694 1.00 0.00 C ATOM 1142 C LYS A 78 1.247 12.268 12.698 1.00 0.00 C ATOM 1143 O LYS A 78 1.899 11.937 13.689 1.00 0.00 O ATOM 1144 CB LYS A 78 -0.842 12.814 13.959 1.00 0.00 C ATOM 1145 CG LYS A 78 -1.197 14.280 13.786 1.00 0.00 C ATOM 1146 CD LYS A 78 -2.700 14.498 13.809 1.00 0.00 C ATOM 1147 CE LYS A 78 -3.143 15.448 12.706 1.00 0.00 C ATOM 1148 NZ LYS A 78 -4.082 16.486 13.214 1.00 0.00 N ATOM 0 H LYS A 78 -1.258 10.452 13.394 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.655 12.697 11.820 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.733 12.267 14.268 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.113 12.718 14.764 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.732 14.864 14.580 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.790 14.645 12.843 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.209 13.541 13.693 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.995 14.901 14.778 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.269 15.931 12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.625 14.881 11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.361 17.114 12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.928 16.026 13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.614 17.044 13.956 1.00 0.00 H new ATOM 1162 N HIS A 79 1.808 12.727 11.583 1.00 0.00 N ATOM 1163 CA HIS A 79 3.254 12.874 11.460 1.00 0.00 C ATOM 1164 C HIS A 79 3.796 13.831 12.519 1.00 0.00 C ATOM 1165 O HIS A 79 3.044 14.597 13.119 1.00 0.00 O ATOM 1166 CB HIS A 79 3.620 13.380 10.065 1.00 0.00 C ATOM 1167 CG HIS A 79 3.679 14.874 9.966 1.00 0.00 C ATOM 1168 ND1 HIS A 79 4.840 15.563 9.685 1.00 0.00 N ATOM 1169 CD2 HIS A 79 2.713 15.810 10.109 1.00 0.00 C ATOM 1170 CE1 HIS A 79 4.585 16.859 9.662 1.00 0.00 C ATOM 1171 NE2 HIS A 79 3.301 17.036 9.917 1.00 0.00 N ATOM 0 H HIS A 79 1.284 13.003 10.753 1.00 0.00 H new ATOM 0 HA HIS A 79 3.707 11.895 11.614 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.587 12.967 9.780 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.889 13.005 9.348 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.672 15.627 10.333 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.304 17.641 9.468 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.824 17.936 9.964 1.00 0.00 H new ATOM 1179 N ASN A 80 5.105 13.778 12.743 1.00 0.00 N ATOM 1180 CA ASN A 80 5.747 14.638 13.730 1.00 0.00 C ATOM 1181 C ASN A 80 6.535 15.753 13.049 1.00 0.00 C ATOM 1182 O ASN A 80 6.956 15.618 11.900 1.00 0.00 O ATOM 1183 CB ASN A 80 6.675 13.816 14.627 1.00 0.00 C ATOM 1184 CG ASN A 80 7.700 13.031 13.832 1.00 0.00 C ATOM 1185 OD1 ASN A 80 8.437 13.592 13.022 1.00 0.00 O ATOM 1186 ND2 ASN A 80 7.750 11.723 14.062 1.00 0.00 N ATOM 0 H ASN A 80 5.742 13.149 12.254 1.00 0.00 H new ATOM 0 HA ASN A 80 4.968 15.090 14.343 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.189 14.482 15.321 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.080 13.128 15.227 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.419 11.142 13.557 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.119 11.300 14.743 1.00 0.00 H new ATOM 1193 N SER A 81 6.731 16.855 13.767 1.00 0.00 N ATOM 1194 CA SER A 81 7.466 17.995 13.231 1.00 0.00 C ATOM 1195 C SER A 81 8.599 18.400 14.169 1.00 0.00 C ATOM 1196 O SER A 81 8.364 18.783 15.314 1.00 0.00 O ATOM 1197 CB SER A 81 6.521 19.180 13.012 1.00 0.00 C ATOM 1198 OG SER A 81 5.854 19.076 11.766 1.00 0.00 O ATOM 0 H SER A 81 6.391 16.982 14.720 1.00 0.00 H new ATOM 0 HA SER A 81 7.897 17.701 12.274 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.788 19.219 13.818 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.086 20.112 13.049 1.00 0.00 H new ATOM 0 HG SER A 81 5.255 19.843 11.650 1.00 0.00 H new ATOM 1204 N ASN A 82 9.829 18.311 13.673 1.00 0.00 N ATOM 1205 CA ASN A 82 11.000 18.669 14.466 1.00 0.00 C ATOM 1206 C ASN A 82 11.691 19.901 13.892 1.00 0.00 C ATOM 1207 O ASN A 82 12.470 19.803 12.943 1.00 0.00 O ATOM 1208 CB ASN A 82 11.982 17.496 14.518 1.00 0.00 C ATOM 1209 CG ASN A 82 12.563 17.290 15.904 1.00 0.00 C ATOM 1210 OD1 ASN A 82 12.083 16.455 16.672 1.00 0.00 O ATOM 1211 ND2 ASN A 82 13.601 18.051 16.230 1.00 0.00 N ATOM 0 H ASN A 82 10.041 17.994 12.727 1.00 0.00 H new ATOM 0 HA ASN A 82 10.667 18.902 15.477 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.473 16.585 14.201 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.792 17.672 13.810 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.034 17.957 17.149 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.966 18.730 15.562 1.00 0.00 H new ATOM 1218 N SER A 83 11.402 21.060 14.474 1.00 0.00 N ATOM 1219 CA SER A 83 11.994 22.313 14.019 1.00 0.00 C ATOM 1220 C SER A 83 13.280 22.615 14.780 1.00 0.00 C ATOM 1221 O SER A 83 13.513 22.082 15.864 1.00 0.00 O ATOM 1222 CB SER A 83 11.001 23.463 14.195 1.00 0.00 C ATOM 1223 OG SER A 83 11.033 24.340 13.084 1.00 0.00 O ATOM 0 H SER A 83 10.761 21.158 15.262 1.00 0.00 H new ATOM 0 HA SER A 83 12.236 22.209 12.961 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.995 23.063 14.317 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.237 24.015 15.105 1.00 0.00 H new ATOM 0 HG SER A 83 10.388 25.065 13.221 1.00 0.00 H new ATOM 1229 N GLY A 84 14.114 23.475 14.203 1.00 0.00 N ATOM 1230 CA GLY A 84 15.368 23.834 14.841 1.00 0.00 C ATOM 1231 C GLY A 84 16.558 23.656 13.919 1.00 0.00 C ATOM 1232 O GLY A 84 16.422 23.604 12.697 1.00 0.00 O ATOM 0 H GLY A 84 13.944 23.929 13.306 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.320 24.872 15.172 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.507 23.222 15.732 1.00 0.00 H new ATOM 1236 N PRO A 85 17.758 23.561 14.509 1.00 0.00 N ATOM 1237 CA PRO A 85 19.002 23.387 13.751 1.00 0.00 C ATOM 1238 C PRO A 85 19.100 22.009 13.106 1.00 0.00 C ATOM 1239 O PRO A 85 20.088 21.692 12.444 1.00 0.00 O ATOM 1240 CB PRO A 85 20.091 23.560 14.812 1.00 0.00 C ATOM 1241 CG PRO A 85 19.432 23.190 16.096 1.00 0.00 C ATOM 1242 CD PRO A 85 17.996 23.614 15.962 1.00 0.00 C ATOM 0 HA PRO A 85 19.078 24.093 12.924 1.00 0.00 H new ATOM 0 HB2 PRO A 85 20.948 22.918 14.608 1.00 0.00 H new ATOM 0 HB3 PRO A 85 20.460 24.586 14.837 1.00 0.00 H new ATOM 0 HG2 PRO A 85 19.507 22.118 16.278 1.00 0.00 H new ATOM 0 HG3 PRO A 85 19.910 23.691 16.938 1.00 0.00 H new ATOM 0 HD2 PRO A 85 17.327 22.945 16.503 1.00 0.00 H new ATOM 0 HD3 PRO A 85 17.834 24.616 16.359 1.00 0.00 H new ATOM 1250 N SER A 86 18.070 21.193 13.306 1.00 0.00 N ATOM 1251 CA SER A 86 18.042 19.846 12.746 1.00 0.00 C ATOM 1252 C SER A 86 18.511 19.851 11.294 1.00 0.00 C ATOM 1253 O SER A 86 19.350 19.042 10.898 1.00 0.00 O ATOM 1254 CB SER A 86 16.630 19.263 12.835 1.00 0.00 C ATOM 1255 OG SER A 86 15.708 20.043 12.096 1.00 0.00 O ATOM 0 H SER A 86 17.244 21.441 13.851 1.00 0.00 H new ATOM 0 HA SER A 86 18.722 19.224 13.327 1.00 0.00 H new ATOM 0 HB2 SER A 86 16.631 18.241 12.457 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.318 19.217 13.878 1.00 0.00 H new ATOM 0 HG SER A 86 14.800 19.874 12.424 1.00 0.00 H new ATOM 1261 N SER A 87 17.962 20.770 10.505 1.00 0.00 N ATOM 1262 CA SER A 87 18.321 20.879 9.095 1.00 0.00 C ATOM 1263 C SER A 87 18.345 22.339 8.653 1.00 0.00 C ATOM 1264 O SER A 87 19.402 22.894 8.360 1.00 0.00 O ATOM 1265 CB SER A 87 17.335 20.089 8.234 1.00 0.00 C ATOM 1266 OG SER A 87 17.779 20.011 6.891 1.00 0.00 O ATOM 0 H SER A 87 17.268 21.449 10.818 1.00 0.00 H new ATOM 0 HA SER A 87 19.320 20.462 8.965 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.217 19.084 8.640 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.355 20.564 8.269 1.00 0.00 H new ATOM 0 HG SER A 87 17.132 19.499 6.362 1.00 0.00 H new ATOM 1272 N GLY A 88 17.167 22.955 8.606 1.00 0.00 N ATOM 1273 CA GLY A 88 17.073 24.345 8.198 1.00 0.00 C ATOM 1274 C GLY A 88 16.084 25.130 9.036 1.00 0.00 C ATOM 1275 O GLY A 88 15.723 26.256 8.693 1.00 0.00 O ATOM 0 H GLY A 88 16.277 22.517 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 88 18.056 24.809 8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.776 24.394 7.150 1.00 0.00 H new TER 1279 GLY A 88